SCHEMBL28693227

SCHEMBL28693227

CCCO[SiH](OCCC)c1cccc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 2/20 0.42
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.33
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28688744 0.89 ALDH1A1 (0.50) ALDH1A1TRPA1GABRA1GABRB2HPGD
SCHEMBL426600 0.85 ALDH1A1 (0.37) ALDH1A1TRPA1HPGDMAPK1GAA
SCHEMBL2961139 0.80 ALDH1A1 (0.42) ALDH1A1HPGDMAPK1GAAKMT2A
SCHEMBL28931541 0.79 ALDH1A1 (0.52) ALDH1A1TRPA1GABRA1GABRB2HPGD
SCHEMBL19809356 0.77 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10ATM
SCHEMBL19809254 0.76 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EHSD17B10ATM
SCHEMBL28199459 0.76 CA2 (0.38) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL4278109 0.74 TSHR (0.41) ALDH1A1HSD17B10MAPK1CYP3A4CYP2C9
SCHEMBL23282492 0.73 TRPA1 (0.35) ALDH1A1TRPA1MAPK1ATMGAA
SCHEMBL28674722 0.73 ALDH1A1 (0.45) ALDH1A1TRPA1GABRA1GABRB2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250754-B Silicon-containing resin composition, silicon-containing resin film, silica film, light-emitting display element panel, and light-emitting display device 东京应化工业株式会社 2022-01-25 CN disclosed